General Information of the Compound
| Compound ID |
CP0413913
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-keto-N-[4-(4-methoxyphenyl)-5-methyl-thiazol-2-yl]pyrrolidine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H23N3O5S
|
||||||||||||||||||
| Molecular Weight |
465.531
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)-c1nc(NC(=O)C2CN(C(=O)C2)c2ccc3OCCOc3c2)sc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H23N3O5S/c1-14-22(15-3-6-18(30-2)7-4-15)25-24(33-14)26-23(29)16-11-21(28)27(13-16)17-5-8-19-20(12-17)32-10-9-31-19/h3-8,12,16H,9-11,13H2,1-2H3,(H,25,26,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DWICAEKWPOLBHD-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3